Olivia Gallup*, Kirill Sechkar*, Sebastian Towers* and Harrison Steel*,
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Computational Synthetic Biology Enabled through JAX: A Showcase
Mathematical modeling is indispensable in synthetic biology but remains underutilized. Tackling problems, from optimizing gene networks to simulating intracellular dynamics, can be facilitated by the ever-growing body of modeling approaches, be they mechanistic, stochastic, data-driven, or AI-enabled. Thanks to progress in the AI community, robust frameworks have emerged to enable researchers to access complex computational hardware and compilation. Previously, these frameworks focused solely on deep learning, but they have been developed to the point where running different forms of computation is relatively simple, as made possible, notably, by the JAX library. Running simulations at scale on GPUs speeds up research, which compounds enable larger-scale experiments and greater usability of code. As JAX remains underexplored in computational biology, we demonstrate its utility in three example projects ranging from synthetic biology to directed evolution, each with an accompanying demonstrative Jupyter notebook. We hope that these tutorials serve to democratize the flexible scaling, faster run-times, easy GPU portability, and mathematical enhancements (such as automatic differentiation) that JAX brings, all with only minor restructuring of code.
期刊介绍:
The journal is particularly interested in studies on the design and synthesis of new genetic circuits and gene products; computational methods in the design of systems; and integrative applied approaches to understanding disease and metabolism.
Topics may include, but are not limited to:
Design and optimization of genetic systems
Genetic circuit design and their principles for their organization into programs
Computational methods to aid the design of genetic systems
Experimental methods to quantify genetic parts, circuits, and metabolic fluxes
Genetic parts libraries: their creation, analysis, and ontological representation
Protein engineering including computational design
Metabolic engineering and cellular manufacturing, including biomass conversion
Natural product access, engineering, and production
Creative and innovative applications of cellular programming
Medical applications, tissue engineering, and the programming of therapeutic cells
Minimal cell design and construction
Genomics and genome replacement strategies
Viral engineering
Automated and robotic assembly platforms for synthetic biology
DNA synthesis methodologies
Metagenomics and synthetic metagenomic analysis
Bioinformatics applied to gene discovery, chemoinformatics, and pathway construction
Gene optimization
Methods for genome-scale measurements of transcription and metabolomics
Systems biology and methods to integrate multiple data sources
in vitro and cell-free synthetic biology and molecular programming
Nucleic acid engineering.